相关论文: Nuclear quantum effects in thermal conductivity fr…

We present molecular dynamics calculations of the thermal conductivity and viscosities of a model colloidal suspension with colloidal particles roughly one order of magnitude larger than the suspending liquid molecules. The results are…

Classical and path integral molecular dynamics (PIMD) simulations are used to study alpha-quartz and beta-quartz in a large range of temperatures at zero external stress. PIMD account for quantum fluctuations of atomic vibrations, which can…

Plasma turbulence is a ubiquitous dynamical process that transfers energy across many spatial and temporal scales and affects energetic particle transport. Recent advances in the understanding of compressible magnetohydrodynamic (MHD)…

Thermal conductivity of a model glass-forming system in the liquid and glass states is studied using extensive numerical simulations. We show that near the glass transition temperture, where the structural relaxation time becomes very long,…

Water is a unique solvent with many remarkable properties. An example is its exceptionally high heat capacity, which plays an important role in storing and transporting thermal energy, with implications for many processes from regulating…

Silicon carbide, a semiconducting material, has gained importance in the fields of ceramics, electronics, and renewable energy due to its remarkable hardness and resistance. In this study, we delve into the impact of nuclear quantum motion,…

Heat conduction of a real quasi-one dimensional material, the finite length carbon nanowire (CNW), inserted into the single-walled carbon nanotube (SWNT) has been studied by the molecular dynamical (MD) method, in which both of the…

Thermoelectric conductance of an edge mode is investigated. The edge modes of a $2D $ and $3D$ two band model with parabolic dispersion is considered. For the the one dimensional non interacting fermions the thermal conductivity computed…

The quantum of heat conductance of ballistic one-dimensional (1D) channels, being gQ=k0T with k0=pi^2*2kB^2/3h (T - temperature, kB - Boltzmann's constant, h - Planck's constant), is an important fundamental constant. While the quantization…

Charge and heat transport through a single molecule tunnel-coupled to external normal electrodes have been studied. The molecule with sufficiently strong interaction between lectrons and vibrational internal degrees of freedom can be…

In this work, we aim to study the thermal properties of materials using classical molecular dynamics simulations and specialized numerical methods. We focus primarily on the thermal conductivity \kappa using non-equilibrium molecular…

Molecular dynamics with the stochastic process provides a convenient way to compute structural and thermodynamic properties of chemical, biological, and materials systems. It is demonstrated that the virtual dynamics case that we proposed…

We study thermoelectric effects in Coulomb-coupled quantum-dot (CCQD) systems beyond lowest-order tunneling processes and the often applied wide-band approximation. To this end, we present a master-equation (ME) approach based on a…

We study the low temperature thermal conductivity of single-layer transition metal dichalcogenides. In the low temperature regime where heat is carried primarily through transport of electrons, thermal conductivity is linked to electrical…

We investigate the heat flow transport properties of a parallel-coupled double quantum-dot system connected to two reservoirs with a temperature bias in the Coulomb blockade regime. We demonstrate that the effects of thermal rectification…

In this paper, thermal conductivity measurement of liquids and nanofluids is numerically investigated by the steady state method. In which, it is required to omit the natural convection effects on the inaccuracy of measurement for heat lost…

The length dependence of the thermal conductivity over more than two decades is systematically studied for a range of materials, interatomic potentials and temperatures, by the atomistic approach-to-equilibrium molecular dynamics method…

The process of fusion of complex nuclei is of significant interest as an example of the collective nuclear motion of large amplitude as well as a route for synthesis of new superheavy chemical elements. This process is accompanied by the…

We calculate the conductance through a quantum dot weakly coupled to metallic leads, modeled by the spin-1/2 Anderson model with finite Coulomb repulsion $U$. We adopt the non-crossing approximation method in its finite-$U$ extension…

Various condensed phases of water, spanning from the liquid state to multiple ice phases, have been systematically investigated under extreme conditions of pressure and temperature to delineate their stability boundaries. This study focuses…